(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine

C9H18N2 — CID 172546338

IUPAC(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine
SMILESCNC1[C@@H]2C[C@H]1N(C(C)C)C2
InChIInChI=1S/C9H18N2/c1-6(2)11-5-7-4-8(11)9(7)10-3/h6-10H,4-5H2,1-3H3/t7-,8-,9?/m1/s1
InChIKeyQSFTZDWXCQFMTB-ZAZKALAHSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds2

About (1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine

(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine (PubChem CID 172546338) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine.

Molecular Properties

Compound Name(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine
PubChem CID172546338
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine
SMILESCNC1[C@@H]2C[C@H]1N(C(C)C)C2
InChIInChI=1S/C9H18N2/c1-6(2)11-5-7-4-8(11)9(7)10-3/h6-10H,4-5H2,1-3H3/t7-,8-,9?/m1/s1
InChIKeyQSFTZDWXCQFMTB-ZAZKALAHSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane
CID 171591162
3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane
CID 171046370
N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane
CID 178011671
8-propan-2-yl-8-azabicyclo[5.2.0]nonane
CID 166687611
(1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
CID 155648652
2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
CID 129231151
N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine
CID 67501119
(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane
CID 164821497
(1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine
CID 164821495
5-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 130224407
5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 83848024
(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
CID 166773781

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine?
The IUPAC name of (1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine (CID 172546338) is (1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine.
What is the SMILES notation for (1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine?
The canonical SMILES for (1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine is CNC1[C@@H]2C[C@H]1N(C(C)C)C2.
What is the InChIKey of (1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine?
The InChIKey is QSFTZDWXCQFMTB-ZAZKALAHSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)11-5-7-4-8(11)9(7)10-3/h6-10H,4-5H2,1-3H3/t7-,8-,9?/m1/s1.
What are the key properties of (1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine?
(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine has a molecular weight of 154.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine is sourced from PubChem (CID 172546338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).